6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C17H24N6 — CID 42925988

IUPAC6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(Nc2ccccc2)n1)N1CCCCCC1
InChIInChI=1S/C17H24N6/c1-13(23-11-7-2-3-8-12-23)15-20-16(18)22-17(21-15)19-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H3,18,19,20,21,22)
InChIKeyROQANUXUILPOLO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.13
Rot. Bonds4

About 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 42925988) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID42925988
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(Nc2ccccc2)n1)N1CCCCCC1
InChIInChI=1S/C17H24N6/c1-13(23-11-7-2-3-8-12-23)15-20-16(18)22-17(21-15)19-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H3,18,19,20,21,22)
InChIKeyROQANUXUILPOLO-UHFFFAOYSA-N
XLogP3.13
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238115
6-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238118
2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 35016466
6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24561080
6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24560839
6-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30765842
6-[(1S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34925494
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
6-[1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18124512
6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51927587
6-[(1S)-1-(4-bromoanilino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25329937
6-[(1S)-1-(3-phenoxypropylsulfanyl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 41016265

Frequently Asked Questions

What is the IUPAC name of 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 42925988) is 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(Nc2ccccc2)n1)N1CCCCCC1.
What is the InChIKey of 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ROQANUXUILPOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-13(23-11-7-2-3-8-12-23)15-20-16(18)22-17(21-15)19-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42925988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).